#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/14/4331418.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4331418
loop_
_publ_author_name
'Trudel, S.'
'Kaiser, C.'
'Sonier, J.E.'
'Tyagi, P.'
'Leznoff, D.B.'
'Pacradouni, V.'
'Lefebvre, J.'
_publ_section_title
;
 Magnetic frustration and spin disorder in isostructural M(mu-O H2)2 [Au
 (C N)2]2 (M = Mn, Fe, Co) coordination polymers containing double
 aqua-bridged chains: SQUID and mueSR studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              55
_journal_page_last               67
_journal_paper_doi               10.1021/ic801094m
_journal_volume                  48
_journal_year                    2009
_chemical_formula_sum            'C4 Au2 Fe N4 O2'
_chemical_name_systematic        'Fe (O H2)2 (O H) (Au (C N)2)2'
_space_group_IT_number           65
_symmetry_space_group_name_Hall  '-C 2 2'
_symmetry_space_group_name_H-M   'C m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   6.26
_cell_length_b                   3.59
_cell_length_c                   10.34
_cell_volume                     232.375
_citation_journal_id_ASTM        INOCAJ
_cod_data_source_file            gold_447.cif
_cod_data_source_block           Au2C4Fe1N4O2
_cod_original_formula_sum        'Au2 C4 Fe1 N4 O2'
_cod_database_code               4331418
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
-x,-y,-z
x,y,-z
-x,y,z
x,-y,z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x+1/2,y+1/2,z
x+1/2,-y+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
N1 N-3 0 0 0.82 1 0.0
Au1 Au+1 0 0 0.5 1 0.0
Fe1 Fe+3 0 0 0 0.5 0.0
O1 O-2 0.3 0 0 0.5 0.0
C1 C+2 0 0 0.7 1 0.0
